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Copy file name to clipboardExpand all lines: docs/CONTRIBUTING.md
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@@ -54,30 +54,30 @@ For those who are interested in the source code, the following figure shows the
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| |-- module_neighbor The module for finding the neighbors of each atom in the unit cell.
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| |-- module_paw The module for performing PAW calculations.
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| |-- module_symmetry The module for finding the symmetry operations of the unit cell.
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|-- source_estate The module for defining the electronic state and its operations.
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|-- source_estate The module for defining the electronic state and its operations.
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| |-- module_charge The module for calculating the charge density, charge mixing
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| |-- potentials The module for calculating the potentials, including Hartree, exchange-correlation, local pseudopotential, etc.
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|-- source_esolver The module defining task-specific driver of corresponding workflow for evaluating energies, forces, etc., including lj, dp, ks, sdft, ofdft, etc.
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| | TDDFT, Orbital-free DFT, etc.
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|-- source_hamilt The module for defining general Hamiltonian that can be used both in PW and LCAO calculations.
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|-- source_hamilt The module for defining general Hamiltonian that can be used both in PW and LCAO calculations.
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| |-- module_ewald The module for calculating the Ewald summation.
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| |-- module_surchem The module for calculating the surface charge correction.
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| |-- module_vdw The module for calculating the van der Waals correction.
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| |-- module_xc The module for calculating the exchange-correlation energy and potential.
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|-- source_lcao The module for defining the Hamiltonian in LCAO calculations.
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|-- source_lcao The module for defining the Hamiltonian in LCAO calculations.
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| |-- hamilt_lcaodft The module for defining the Hamiltonian in LCAO-DFT calculations.
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| | |-- operator_lcao The module for defining the operators in LCAO-DFT calculations.
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| |-- module_deepks The module for defining the Hamiltonian in DeepKS calculations.
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| |-- module_dftu The module for defining the Hamiltonian in DFT+U calculations.
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| |-- module_gint The module for performing grid integral in LCAO calculations.
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| |-- module_hcontainer The module for storing the Hamiltonian matrix in LCAO calculations.
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| |-- module_tddft The module for defining the Hamiltonian in TDDFT calculations.
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| |-- module_rt The module for defining the Hamiltonian in TDDFT calculations.
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| `-- module_ri The module for performing RI calculations.
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|-- source_pw The module for defining the Hamiltonian in PW calculations.
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| |-- hamilt_ofdft The module for defining the Hamiltonian in OFDFT calculations.
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| |-- hamilt_pwdft The module for defining the Hamiltonian in PW-DFT calculations.
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|-- source_pw The module for defining the Hamiltonian in PW calculations.
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| |-- module_ofdft The module for defining the Hamiltonian in OFDFT calculations.
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| |-- module_pwdft The module for defining the Hamiltonian in PW-DFT calculations.
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| | |-- operator_pw The module for defining the operators in PW-DFT calculations.
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| `-- hamilt_stodft The module for defining the Hamiltonian in STODFT calculations.
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| `-- module_stodft The module for defining the Hamiltonian in STODFT calculations.
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|-- source_hsolver The module for solving the Hamiltonian with different diagonalization methods, including CG, Davidson in PW
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| | calculations, and scalapack and genelpa in LCAO calculations.
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|-- source_io The module for reading of INPUT files and output properties including band structure, density of states, charge density, etc.
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